tert-butyl 4-[7-chloranyl-2-(propylamino)quinolin-4-yl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[7-chloranyl-2-(propylamino)quinolin-4-yl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[7-chloro-2-(propylamino)-4-quinolyl]piperazine-1-carboxylate CAS Name: 4-[7-chloro-2-(propylamino)-4-quinolinyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[7-chloro-2-(propylamino)quinolin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[7-chloro-2-(propylamino)-4-quinolyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C21H29ClN4O2 MolecularWeight: 404.93356

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(C=CC(=C2)Cl)C(=C1)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCCNC1=NC2=C(C=CC(=C2)Cl)C(=C1)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H29ClN4O2/c1-5-8-23-19-14-18(16-7-6-15(22)13-17(16)24-19)25-9-11-26(12-10-25)20(27)28-21(2,3)4/h6-7,13-14H,5,8-12H2,1-4H3,(H,23,24)